SynCED ID Name
CAS Number
FormulaStructureSources
CHEM002343Dimethyl sulfoxide
CAS67-68-5
C2H6OS
Avg mass78.133
EAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHPV EPA ChemicalsOECD HPV ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002344Flucytosine
CAS2022-85-7
C4H4FN3O
Avg mass129.093
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002345Pimozide
CAS2062-78-4
C28H29F2N3O
Avg mass461.546
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002346Sertraline
CAS79617-96-2
C17H17Cl2N
Avg mass306.230
FooDB ChemicalsSTOFF IDENT CompoundsSuspected CompoundsT3DB toxins
CHEM002347Sibutramine
CAS106650-56-0
C17H26ClN
Avg mass279.848
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002348Methyprylon
CAS125-64-4
C10H17NO2
Avg mass183.248
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002349Miconazole
CAS22916-47-8
C18H14Cl4N2O
Avg mass416.129
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002350Chlorpheniramine
CAS132-22-9
C16H19ClN2
Avg mass274.788
FooDB ChemicalsT3DB toxins
CHEM002351Phenacemide
CAS63-98-9
C9H10N2O2
Avg mass178.188
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxinsToxCast & Tox21 Chemicals
CHEM002352Ambenonium
CAS7648-98-8
C28H42Cl2N4O2
Avg mass537.565
HMDB Contaminants - UrineT3DB toxins
CHEM002353Econazole
CAS27220-47-9
C18H15Cl3N2O
Avg mass381.684
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002354Doxepin
CAS1668-19-5
C19H21NO
Avg mass279.383
HMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected CompoundsT3DB toxins
CHEM002355Nefazodone
CAS83366-66-9
C25H32ClN5O2
Avg mass470.007
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002356Desipramine
CAS50-47-5
C18H22N2
Avg mass266.381
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002357Sertaconazole
CAS99592-32-2
C20H15Cl3N2OS
Avg mass437.770
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002358Bupropion
CAS34841-39-9
C13H18ClNO
Avg mass239.741
FooDB ChemicalsSTOFF IDENT CompoundsSuspected Compounds - Waste WaterT3DB toxins
CHEM002359Trimetrexate
CAS52128-35-5
C19H23N5O3
Avg mass369.418
HMDB Contaminants - UrineT3DB toxins
CHEM002360Halothane
CAS151-67-7
C2HBrClF3
Avg mass197.382
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002361Chloroprocaine
CAS133-16-4
C13H19ClN2O2
Avg mass270.755
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002362Moclobemide
CAS71320-77-9
C13H17ClN2O2
Avg mass268.739
HMDB Contaminants - UrineSTOFF IDENT CompoundsSuspected Compounds - Waste WaterSuspected Compounds – Schymanski ProjectT3DB toxinsToxCast & Tox21 Chemicals
CHEM002363Orphenadrine
CAS83-98-7
C18H23NO
Avg mass269.381
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxins
CHEM002364Phenobarbital
CAS50-06-6
C12H12N2O3
Avg mass232.235
HMDB Contaminants - UrineIARC Carcinogens Group 2BSTOFF IDENT CompoundsSuspected CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002365Escitalopram
CAS128196-01-0
C20H21FN2O
Avg mass324.392
FooDB ChemicalsSTOFF IDENT CompoundsT3DB toxins
CHEM002366Chlormezanone
CAS80-77-3
C11H12ClNO3S
Avg mass273.736
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM002367Fluoxymesterone
CAS76-43-7
C20H29FO3
Avg mass336.441
HMDB Contaminants - UrineSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals